Zinc in PDB 5v48: Soluble Rabbit Neprilysin in Complex with Thiorphan

All present enzymatic activity of Soluble Rabbit Neprilysin in Complex with Thiorphan:
3.4.24.11;

The structure of Soluble Rabbit Neprilysin in Complex with Thiorphan, PDB code: 5v48 was solved by S.L.Labiuk, P.Grochulski, J.Sygusch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.47 / 3.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	68.994, 108.446, 211.887, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 24.5

The binding sites of Zinc atom in the Soluble Rabbit Neprilysin in Complex with Thiorphan (pdb code 5v48). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Soluble Rabbit Neprilysin in Complex with Thiorphan, PDB code: 5v48:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Soluble Rabbit Neprilysin in Complex with Thiorphan


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Soluble Rabbit Neprilysin in Complex with Thiorphan within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn801 b:25.5 occ:1.00 OE1 A:GLU647 2.0 21.2 1.0 OE2 A:GLU647 2.0 28.2 1.0 NE2 A:HIS584 2.0 24.0 1.0 NE2 A:HIS588 2.0 24.2 1.0 SG1 A:TIO802 2.1 30.2 1.0 CD A:GLU647 2.3 26.0 1.0 CE1 A:HIS584 2.7 23.6 1.0 CE1 A:HIS588 2.8 24.0 1.0 CD2 A:HIS588 3.1 22.4 1.0 CD2 A:HIS584 3.2 21.4 1.0 CB1 A:TIO802 3.7 30.2 1.0 NE2 A:HIS712 3.8 25.5 1.0 CG A:GLU647 3.8 22.5 1.0 CA1 A:TIO802 3.9 30.2 1.0 ND1 A:HIS584 3.9 17.8 1.0 ND1 A:HIS588 4.0 24.6 1.0 CG A:HIS588 4.1 21.4 1.0 CG A:HIS584 4.2 21.9 1.0 CD2 A:HIS712 4.2 25.5 1.0 CB A:GLU647 4.5 21.5 1.0 CA A:GLU647 4.6 21.5 1.0 OE1 A:GLU585 4.7 21.5 1.0 CE1 A:HIS712 4.7 25.5 1.0 C A:TIO802 4.7 30.2 1.0 CB A:ALA650 4.8 22.7 1.0 O A:TIO802 5.0 30.2 1.0

Zinc binding site 2 out of 2 in the Soluble Rabbit Neprilysin in Complex with Thiorphan


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Soluble Rabbit Neprilysin in Complex with Thiorphan within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn801 b:49.2 occ:1.00 OE1 B:GLU647 2.0 39.7 1.0 OE2 B:GLU647 2.0 42.4 1.0 NE2 B:HIS588 2.0 41.6 1.0 NE2 B:HIS584 2.0 37.3 1.0 SG1 B:TIO802 2.1 43.6 1.0 CD B:GLU647 2.3 41.1 1.0 CE1 B:HIS588 3.0 34.8 1.0 CE1 B:HIS584 3.0 33.4 1.0 CD2 B:HIS584 3.0 33.0 1.0 CD2 B:HIS588 3.0 39.8 1.0 CB1 B:TIO802 3.4 43.6 1.0 CA1 B:TIO802 3.7 43.6 1.0 CG B:GLU647 3.8 39.0 1.0 NE2 B:HIS712 3.8 43.8 1.0 ND1 B:HIS588 4.1 34.6 1.0 ND1 B:HIS584 4.1 34.1 1.0 CG B:HIS588 4.2 36.1 1.0 CG B:HIS584 4.2 35.6 1.0 CD2 B:HIS712 4.2 39.6 1.0 OE2 B:GLU585 4.3 41.7 1.0 CB B:GLU647 4.6 36.2 1.0 O B:HOH994 4.6 27.7 1.0 C B:TIO802 4.7 43.6 1.0 CA B:GLU647 4.7 36.9 1.0 CB2 B:TIO802 4.7 43.6 1.0 CE1 B:HIS712 4.8 44.9 1.0 OE1 B:GLU585 4.8 38.4 1.0 CB B:ALA650 4.9 42.4 1.0 CD B:GLU585 4.9 38.7 1.0 CD1 B:TIO802 4.9 43.6 1.0 O B:TIO802 5.0 43.6 1.0

S.L.Labiuk, J.Sygusch, P.Grochulski. Structures of Soluble Rabbit Neprilysin Complexed with Phosphoramidon or Thiorphan. Acta Crystallogr.,Sect.F V. 75 405 2019.
ISSN: ESSN 2053-230X
PubMed: 31204686
DOI: 10.1107/S2053230X19006046